CID 12508373

2-chloro-3,4-dimethylpyridine

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=C(C(=NC=C1)Cl)C
InChI
InChI=1S/C7H8ClN/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3
InChIKey
HYULJNAYJIWKQA-UHFFFAOYSA-N
Compound name
2-chloro-3,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

141.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 123.5
[M+Na]+ 164.023748 134.5
[M-H]- 140.027254 126.4
[M+NH4]+ 159.068353 145.4
[M+K]+ 179.997688 131.2
[M+H-H2O]+ 124.031790 118.7
[M+HCOO]- 186.032731 142.8
[M+CH3COO]- 200.048381 174.1
[M+Na-2H]- 162.009196 131.2
[M]+ 141.03398142 125.8
[M]- 141.03507858 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe